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1,2-bis[2-(4-chlorophenyl)ethynyl]benzene
SpectraBase Compound ID 90DCtrvZlY4
InChI InChI=1S/C22H12Cl2/c23-21-13-7-17(8-14-21)5-11-19-3-1-2-4-20(19)12-6-18-9-15-22(24)16-10-18/h1-4,7-10,13-16H
InChIKey VYKXJRWLRIPALI-UHFFFAOYSA-N
Mol Weight 347.24 g/mol
Molecular Formula C22H12Cl2
Exact Mass 346.031606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9x6xCQz0uJ1
Name 1,2-bis[2-(4-chlorophenyl)ethynyl]benzene
Appearance Colorless solid
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Exact Mass 346.031605786 u
Formula C22H12Cl2
InChI InChI=1S/C22H12Cl2/c23-21-13-7-17(8-14-21)5-11-19-3-1-2-4-20(19)12-6-18-9-15-22(24)16-10-18/h1-4,7-10,13-16H
InChIKey VYKXJRWLRIPALI-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 700 or JEOL JMS-700 or Vacuum Generators ZAB-2F or HP Agilent 5890 Series II Plus-HP 5972
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201700057
Molecular Weight 347.244 g/mol
Quality 94
Reported Formula C22H12(35)Cl2
SMILES C=1C=CC(C#CC2=CC=C(C=C2)Cl)=C(C#CC2=CC=C(C=C2)Cl)C1
SPLASH splash10-0002-0149000000-6ce6a47606858147fdd5
Source of Spectrum ACI-56-SM7-1g (DOI: 10.1002/anie.201700057)
Thin-Layer Chromatography 0.76 (PE/EA, 5:1)
Wiley ID 1895492